2,2,2-tris(fluoranyl)ethyl 4-methylidene-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-methylidene-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-methylene-2-oxo-6-phenyl-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-2-oxo-6-phenyl-1,3-diazinane-5-carboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-methylidene-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-phenyl-hexahydropyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C14H13F3N2O3 MolecularWeight: 314.25983

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC(F)(F)F

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC(F)(F)F

InChI

InChI=1S/C14H13F3N2O3/c1-8-10(12(20)22-7-14(15,16)17)11(19-13(21)18-8)9-5-3-2-4-6-9/h2-6,10-11H,1,7H2,(H2,18,19,21)